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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 506.9
BDBM515530
Wt: 506.9
BDBM515567

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Potassium channel subfamily K member 9


(Homo sapiens (Human))
BDBM515530
PNG
((3-{[2-(4-Chlorophenyl)imidazo[1,2-a]pyrimidin-3-y...)
Show SMILES COc1ccc(F)c(n1)C(=O)N1C2CCC1CN(Cc1c(nc3ncccn13)-c1ccc(Cl)cc1)C2 |TLB:9:11:13.14:17.35.16|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.20n/an/an/an/an/an/a


TBA

Assay Description
The investigations on the inhibition of the recombinant TASK-1 and TASK-3 channels were conducted using stably transfected CHO cells. The compounds a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2T43X7W
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM515530
PNG
((3-{[2-(4-Chlorophenyl)imidazo[1,2-a]pyrimidin-3-y...)
Show SMILES COc1ccc(F)c(n1)C(=O)N1C2CCC1CN(Cc1c(nc3ncccn13)-c1ccc(Cl)cc1)C2 |TLB:9:11:13.14:17.35.16|
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 340n/an/an/an/an/an/a


TBA

Assay Description
Table 1: In Vitro Electrophysiological Analysis of the Human TASK-1 and TASK-3 Channels Via Two-Electrode Voltage Clamp Technique in Xenopus laevis O...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2T43X7W
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 9


(Homo sapiens (Human))
BDBM515567
PNG
(US11098063, Example 65)
Show SMILES COc1ccc(F)c(n1)C(=O)N1C2CCC1CN(Cc1c(nc3ncccn13)-c1ccc(Cl)cc1)C2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 670n/an/an/an/an/an/a


TBA

Assay Description
The investigations on the inhibition of the recombinant TASK-1 and TASK-3 channels were conducted using stably transfected CHO cells. The compounds a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2T43X7W
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM515567
PNG
(US11098063, Example 65)
Show SMILES COc1ccc(F)c(n1)C(=O)N1C2CCC1CN(Cc1c(nc3ncccn13)-c1ccc(Cl)cc1)C2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Table 1: In Vitro Electrophysiological Analysis of the Human TASK-1 and TASK-3 Channels Via Two-Electrode Voltage Clamp Technique in Xenopus laevis O...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2T43X7W
More data for this
Ligand-Target Pair